SEQ2FUN

BioLiP

PDB CCD ID: A1EML
Number of entries in BioLiP: 0
Chemical formula: C12 H22 O8
InChI: InChI=1S/C12H22O8/c13-11(14)1-3-17-5-7-19-9-10-20-8-6-18-4-2-12(15)16/h1-10H2,(H,13,14)(H,15,16)
InChIKey: LGEVPLDBBPWJIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(COCCOCCOCCOCCC(=O)O)C(=O)O
CACTVS 3.385OC(=O)CCOCCOCCOCCOCCC(O)=O
Name:3-[2-[2-[2-(3-hydroxy-3-oxopropyloxy)ethoxy]ethoxy]ethoxy]propanoic acid;
Bis-PEG4-acid
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).